SCHEMBL11514910

SCHEMBL11514910

[CH2]C=CC(C)Oc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
NFE2L2 Q16236 2/20 0.37
SLC6A4 P31645 1/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 2/20 0.33
ALDH1A3 P47895 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
HPGD P15428 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 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
SCHEMBL11515268 0.81 CYP1A2 (0.44) ALDH1A1SLC6A4NPSR1ALDH1A3PPARG
SCHEMBL11515859 0.80 CYP3A4 (0.40) ALDH1A1SLC6A4MEN1KMT2ALMNA
SCHEMBL11515574 0.80 HPGD (0.51) ALDH1A1NFE2L2SLC6A4MEN1KMT2A
SCHEMBL11516909 0.80 KDM4E (0.37) ALDH1A1SLC6A4MEN1KMT2ALMNA
SCHEMBL8597090 0.76 ALDH1A1 (0.43) ALDH1A1NFE2L2SLC6A4MAPTMEN1
SCHEMBL18920663 0.76 ALDH1A1 (0.40) ALDH1A1NFE2L2SLC6A4MAPTMEN1
SCHEMBL8923939 0.73 ALDH1A1 (0.41) ALDH1A1NFE2L2SLC6A4MEN1KMT2A
SCHEMBL11748213 0.73 PPARG (0.43) ALDH1A1SLC6A4MAPTSMN1; SMN2PPARG
SCHEMBL3165936 0.73 ALDH1A1 (0.47) ALDH1A1NFE2L2SLC6A4MAPTMEN1
SCHEMBL105035 0.72 ALDH1A3 (0.52) ALDH1A1NFE2L2MAPTMEN1KMT2A

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