SCHEMBL11540602

SCHEMBL11540602

Cc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(C(=O)O)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 10/20 0.51
P4HA1 P13674 1/20 0.43
MIF P14174 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 2/20 0.41
NAPRT Q6XQN6 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
BLM P54132 1/20 0.39

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
Picotrin SCHEMBL2109455 0.92 P4HTM (0.50) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL11538682 0.86 P4HTM (0.45) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL11534152 0.84 P4HTM (0.51) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL11536458 0.84 P4HTM (0.52) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL11538266 0.84 P4HTM (0.51) P4HTMKDM4EALDH1A1L3MBTL1MAPK1
SCHEMBL11539119 0.81 P4HTM (0.44) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL11535358 0.80 P4HTM (0.45) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL11536461 0.80 KDM4E (0.49) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL11535031 0.80 KCNN4 (0.46) P4HTMP4HA1MIFKDM4EALDH1A1
Picotrin SCHEMBL635327 0.80 KDM4E (0.44) P4HTMP4HA1MIFKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4139625-A 5-(Substituted triphenylmethyl)picolinamides and their use as anti-acne agents SCHERING CORPORATION (US) 1979-02-13 US disclosed
US-4133887-A Trityl picolinic acid derivatives and their use as anti-acne agents SCHERING CORPORATION (US) 1979-01-09 US disclosed
US-4127662-A ANTIACNE SCHERING CORPORATION (US) 1978-11-28 US disclosed
US-4123433-A ANTIACNE AGENTS SCHERING CORPORATION (US) 1978-10-31 US disclosed
US-4044140-A Trityl picolinic acid derivatives and their use as anti-acne agents SCHERING CORPORATION (US) 1977-08-23 US disclosed