SCHEMBL8845387

SCHEMBL8845387

COc1ccc(C2(c3ccc(C(F)(F)F)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRKDC P78527 3/20 0.36
KDM4E B2RXH2 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR1A P08908 2/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
USP2 O75604 1/20 0.34

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
SCHEMBL2456236 0.93 PRKDC (0.41) LMNASMN1; SMN2L3MBTL1PRKDCKDM4E
SCHEMBL29375169 0.93 PRKDC (0.41) LMNASMN1; SMN2L3MBTL1PRKDCKDM4E
SCHEMBL5707975 0.91 MAPT (0.38) LMNASMN1; SMN2L3MBTL1PRKDCKDM4E
SCHEMBL2417015 0.91 PRKDC (0.40) LMNASMN1; SMN2L3MBTL1PRKDCKDM4E
SCHEMBL7480012 0.90 ALDH1A1 (0.39) LMNASMN1; SMN2L3MBTL1PRKDCKDM4E
SCHEMBL12205748 0.89 PRKDC (0.39) LMNASMN1; SMN2L3MBTL1PRKDCKDM4E
SCHEMBL14607589 0.88 POLB (0.40) LMNASMN1; SMN2L3MBTL1PRKDCKDM4E
SCHEMBL12259684 0.87 PRKDC (0.39) LMNASMN1; SMN2PRKDCKDM4ETDP1
SCHEMBL8845391 0.87 CCR3 (0.37) LMNASMN1; SMN2L3MBTL1PRKDCKDM4E
SCHEMBL7471010 0.86 NPSR1 (0.37) LMNASMN1; SMN2L3MBTL1PRKDCKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5623005-A NAPTHOPYRAN COMPOUNDS CONTAINING AMINE SUBSTITUTION AT 6-POSITION; USEFUL TO MAKE OPHTHALMIC LENS PILKINGTON PLC (GB) 1997-04-22 US claimed
EP-0691965-B1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PILKINGTON PLC (GB) 1996-12-04 EP claimed