SCHEMBL11079737

SCHEMBL11079737

[Li]c1cc(Cl)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 8/20 0.43
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
LMNA P02545 2/20 0.42
TTR P02766 2/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 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
SCHEMBL29185170 0.82 TRPV4 (0.50) TRPV4MEN1KMT2AALDH1A1HTR3E
SCHEMBL29636402 0.78 TRPV4 (0.55) TRPV4MEN1KMT2AALDH1A1HTR3E
SCHEMBL2127233 0.78 TRPV4 (0.55) TRPV4MEN1KMT2AALDH1A1HTR3E
SCHEMBL29687129 0.76 TTR (0.62) TRPV4MEN1KMT2AALDH1A1LMNA
SCHEMBL7699644 0.76 ALDH1A1 (0.56) TRPV4MEN1KMT2AALDH1A1LMNA
SCHEMBL28298273 0.76 TRPV4 (0.53) TRPV4MEN1KMT2AALDH1A1HTR3E
SCHEMBL196490 0.76 TTR (0.62) TRPV4MEN1KMT2AALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL4261558 0.74 TTR (0.61) TRPV4MEN1KMT2AALDH1A1LMNA
SCHEMBL6002507 0.74 CA12 (0.62) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL91412 0.74 TSHR (0.50) TRPV4MEN1KMT2AALDH1A1HTR3E

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
US-4434100-A TRANQUILIZING, ANTICONVULSANTS, ANXIOLYTIC CIBA-GEIGY CORPORATION (US) 1984-02-28 US disclosed
US-4356176-A TRANQUILIZERS, ANTICONVULSANT CIBA-GEIGY CORPORATION (US) 1982-10-26 US disclosed
US-4315926-A ANXIOLYTIC AGENTS CIBA-GEIGY CORPORATION (US) 1982-02-16 US disclosed