SCHEMBL7475441

SCHEMBL7475441

COC(=O)c1c(C=O)c(C)c(C)n1CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.40
PLA2G2A P14555 3/20 0.39
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 1/20 0.36
RECQL P46063 1/20 0.36
AR P10275 1/20 0.35
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
P2RX3 P56373 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL7476209 0.93 NOTUM (0.38) MAPK8PLA2G2AALDH1A1MAPTLMNA
SCHEMBL7477529 0.81 LMNA (0.31) ALDH1A1MAPTLMNA
SCHEMBL5237222 0.81 LMNA (0.31) ALDH1A1MAPTLMNA
SCHEMBL5237232 0.81 LMNA (0.31) ALDH1A1MAPTLMNA
SCHEMBL7482378 0.74 ALDH1A1 (0.37) ALDH1A1KMT2ACYP3A4TSHRKDM4E
SCHEMBL7475018 0.74 KDM4E (0.32) ALDH1A1CYP3A4KDM4EMAPTLMNA
SCHEMBL7479670 0.74 MEN1 (0.36) ALDH1A1KMT2ACYP3A4KDM4EMAPT
SCHEMBL7478519 0.73 ALDH1A1 (0.33) ALDH1A1MAPTLMNA
SCHEMBL7474346 0.73 NPC1 (0.32) ALDH1A1KMT2ACYP3A4MAPTLMNA
SCHEMBL7478089 0.73 KDM4E (0.32) ALDH1A1KDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0742218-B1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO CO (JP) 2002-12-04 EP disclosed
US-6063782-A Pyrrolopyridazine derivatives SANKYO COMPANY, LIMITED (JP) 2000-05-16 US disclosed
EP-0742218-A1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO COMPANY LIMITED (JP) 1996-11-13 EP disclosed