SCHEMBL11519102

SCHEMBL11519102

[CH]=CCC(C)(C)Cc1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ TAAR1 Q96RJ0 4/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ PYCR1 P32322 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ RIPK1 Q13546 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ AOC3 Q16853 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ AGXT P21549 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11514383 0.81 TAAR1 (0.40) IDO1TAAR1PYCR1KDM4EALDH1A1
SCHEMBL11515563 0.81 SLC6A4 (0.57) IDO1TAAR1SLC6A2HTR2ASLC6A4
SCHEMBL11613213 0.79 TAAR1 (0.41) IDO1TAAR1SLC6A3KDM4ERIPK1
SCHEMBL11517660 0.78 IDO1 (0.37) IDO1LOXL2TAAR1TRPA1LMNA
SCHEMBL19445303 0.75 KDM4E (0.44) IDO1LOXL2TAAR1HPGDLMNA
SCHEMBL3160963 0.74 ALDH1A1 (0.46) IDO1LOXL2TAAR1TRPA1HPGD
SCHEMBL14357053 0.74 HPGD (0.41) IDO1LOXL2TAAR1TRPA1HPGD
SCHEMBL4661331 0.74 LOXL2 (0.50) IDO1LOXL2TAAR1SLC6A2HTR2A
SCHEMBL25343157 0.73 LOXL2 (0.48) IDO1LOXL2TAAR1SLC6A2HTR2A
SCHEMBL349725 0.73 SLC6A2 (0.61) IDO1LOXL2TAAR1SLC6A2HTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE29926-E 2-Decarboxy-2-hydroxy-methyl-16-fluoro-PGE1 compounds THE UPJOHN COMPANY (US) 1979-03-06 — — US disclosed
US-4122282-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-10-24 — — US disclosed
US-4107191-A PROSTAGLANDINS, BLOOD PRESSURE LOWERING, LABOR INDUCTION, REPRODUCTIVE-CYCLE REGULATION, GASTRIC ANTISECRETORY THE UPJOHN COMPANY (US) 1978-08-15 — — US disclosed
US-4104474-A PROSTAGLANDINS, HYPOTENSIVE, OXYTOCICS, ANTIFERTILITY, ANTISECRETORY THE UPJOHN COMPANY (US) 1978-08-01 — — US disclosed
US-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 — — US disclosed
US-4099015-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-07-04 — — US disclosed
US-4086258-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-04-25 — — US disclosed
US-4085139-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-04-18 — — US disclosed
US-4081478-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-03-28 — — US disclosed
US-4073808-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-02-14 — — US disclosed
US-4058564-A PROSTAGLANDINS; HYPOTENSIVE, LABOR INDUCERS, ANTISECRETORY THE UPJOHN COMPANY (US) 1977-11-15 — — US disclosed
US-4055602-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1977-10-25 — — US disclosed
US-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 — — US disclosed
US-4029681-A 13,14-Didehydro-PG analogs THE UPJOHN COMPANY (US) 1977-06-14 — — US disclosed
US-4028419-A PROSTAGLANDINS THE UPJOIN COMPANY (US) 1977-06-07 — — US disclosed
US-4026909-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1977-05-31 — — US disclosed
US-4018803-A 13,14-Didehydro-PG3 compounds THE UPJOHN COMPANY (US) 1977-04-19 — — US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 — — US disclosed
US-4013695-A PROSTAGLANDINS, HYPOTENSIVES, OXYTOCICS, ANTISECRETORY AND ANTIULCER AGENTS, REPRODUCTION CONTROL THE UPJOHN COMPANY (US) 1977-03-22 — — US disclosed
Send feedback