SCHEMBL11612659

SCHEMBL11612659

[CH2]CCC(C)(C)Oc1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.39
▸ WDR5 P61964 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HTT P42858 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ AGXT P21549 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ CNR1 P21554 2/20 0.36

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
SCHEMBL19387702 0.85 KMT2A (0.45) PKMWDR5POLBKCNH2KMT2A
SCHEMBL11613784 0.80 MAOB (0.40) SLC6A4IDO1AGXTHTR6
SCHEMBL11612914 0.79 PPARA (0.46) POLBKMT2AHTTLMNAMAPK1
SCHEMBL11613159 0.78 CA4 (0.36) PKMLMNAMAPK1SLC6A2CYP2D6
SCHEMBL2318592 0.76 WDR5 (0.42) WDR5POLBKCNH2KMT2AHTT
SCHEMBL11518530 0.75 POLB (0.37) PKMWDR5POLBKCNH2KMT2A
SCHEMBL8888581 0.75 KMT2A (0.42) WDR5POLBKCNH2KMT2AHTT
SCHEMBL11662296 0.74 WDR5 (0.40) WDR5POLBKCNH2KMT2AHTT
SCHEMBL11615063 0.73 CNR1 (0.41) WDR5POLBKCNH2KMT2AHTT
SCHEMBL11660378 0.73 CNR1 (0.38) WDR5POLBKCNH2KMT2AHTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4122282-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-10-24 — — US disclosed
US-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 — — 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-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 — — US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 — — US disclosed
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