SCHEMBL18697103

SCHEMBL18697103

CCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.55
GGPS1 O95749 1/20 0.46
PRKDC P78527 5/20 0.40
PTGES2 Q9H7Z7 1/20 0.38
PTPN1 P18031 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
ATM Q13315 1/20 0.36
PRMT5 O14744 1/20 0.35

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
SCHEMBL19743191 0.98 ALOX5 (0.56) ALOX5GGPS1PRKDCPTGES2PTPN1
SCHEMBL18697114 0.94 ALOX5 (0.53) ALOX5GGPS1PRKDCPTGES2MEN1
SCHEMBL26564252 0.92 ALOX5 (0.51) ALOX5GGPS1PRKDCPTGES2MEN1
SCHEMBL18933422 0.92 ALOX5 (0.57) ALOX5GGPS1PRKDCPTGES2MEN1
SCHEMBL18933533 0.91 ALOX5 (0.50) ALOX5GGPS1PRKDCPTGES2MEN1
SCHEMBL3863947 0.86 ALOX5 (0.60) ALOX5GGPS1PRKDCPTGES2PTPN1
SCHEMBL16582801 0.85 ALOX5 (0.70) ALOX5GGPS1PRKDCPTGES2MEN1
SCHEMBL26367047 0.85 ALOX5 (0.55) ALOX5GGPS1PRKDCPTGES2PTPN1
SCHEMBL1853534 0.84 ALOX5 (0.57) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL4549419 0.84 ALOX5 (0.49) ALOX5GGPS1PRKDCPTGES2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9614160-B2 Aromatic amine derivatives and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2017-04-04 US disclosed