SCHEMBL31456579

SCHEMBL31456579

CC1(C)CNc2ccc(C(=O)O)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 15/20 0.53
RARG P13631 14/20 0.53
RARA P10276 11/20 0.53
CYP26A1 O43174 3/20 0.47
CYP26B1 Q9NR63 1/20 0.47
RXRA P19793 10/20 0.46
RXRB P28702 7/20 0.46
RXRG P48443 5/20 0.46
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL11810345 0.87 RARB (0.44) RARBRARGRARARXRARXRB
SCHEMBL22401566 0.80 TDP2 (0.47) RARBRARGRARACYP26A1CYP26B1
SCHEMBL9376151 0.78 RARB (0.61) RARBRARGRARACYP26A1CYP26B1
SCHEMBL7474277 0.77 ALDH1A1 (0.43) RARBRARGRARACYP26A1CYP26B1
SCHEMBL29930072 0.76 KDM4E (0.44) RARBRARGRARACYP26A1CYP26B1
SCHEMBL25155975 0.75 RXRA (0.43) RARBRARGRARACYP26A1CYP26B1
SCHEMBL23714891 0.75 RARB (0.55) RARBRARGRARACYP26A1CYP26B1
SCHEMBL27905126 0.74 KDM4E (0.53) RARBRARGRARACYP26A1CYP26B1
Hydrochloric Acid SCHEMBL16494285 0.74 MRGPRX2 (0.40) RARBRARGRARA
SCHEMBL5734170 0.73 HSPA9 (0.49) KDM4EMAPTCYP1A2CYP2C19MEN1

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-119630747-A Novel fluorescent dyes and polymers from dihydrophenanthrene derivatives 贝克曼库尔特有限公司 2025-03-14 CN disclosed