SCHEMBL28604377

SCHEMBL28604377

Cc1cc2cnn(C3CCCCO3)c2cc1C1CN(C(=O)O)CC1O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.46
▸ RXRB P28702 1/20 0.46
▸ RXRG P48443 1/20 0.46
▸ CYP4F2 P78329 3/20 0.38
▸ CYP4A11 Q02928 3/20 0.38
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ LRRK2 Q5S007 9/20 0.33
▸ ATR Q13535 2/20 0.31
▸ RET P07949 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL22723516 0.93 RXRA (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21796750 0.90 RXRA (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21797025 0.87 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21797023 0.87 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21797139 0.84 RXRA (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21796642 0.84 RXRA (0.48) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21796571 0.83 RXRA (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21796615 0.82 GPR119 (0.40) RXRARXRBRXRGLMNA
SCHEMBL20437475 0.82 GPR119 (0.40) RXRARXRBRXRGLMNA
SCHEMBL22723340 0.82 GPR119 (0.40) RXRARXRBRXRGLMNA

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
CN-108137510-B Compound (I) 葛兰素史密斯克莱知识产权发展有限公司 2021-07-20 — — CN disclosed
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