SCHEMBL9596391

SCHEMBL9596391

CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)s3)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.63
RARG P13631 11/20 0.63
RARA P10276 9/20 0.63
CYP26A1 O43174 5/20 0.63
MEN1 O00255 2/20 0.63
CYP3A4 P08684 2/20 0.63
KMT2A Q03164 2/20 0.63
ALDH1A1 P00352 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.63
TSHR P16473 1/20 0.63
MAPK1 P28482 1/20 0.63
CYP2C19 P33261 1/20 0.63
RXRA P19793 12/20 0.59
RXRB P28702 11/20 0.59
RXRG P48443 9/20 0.59
PGR P06401 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
TBXA2R P21731 1/20 0.56
BLVRB P30043 1/20 0.56

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
SCHEMBL8748608 0.78 RXRA (0.46) RARBRARGRARACYP26A1MEN1
SCHEMBL29355626 0.78 RARB (1.00) RARBRARGRARACYP26A1MEN1
SCHEMBL726740 0.78 RARB (1.00) RARBRARGRARACYP26A1MEN1
SCHEMBL7621355 0.76 RARA (0.82) RARBRARGRARACYP26A1MEN1
SCHEMBL28513667 0.75 RNASEH1 (0.55) MEN1KMT2ATSHR
SCHEMBL29827631 0.74 RARB (0.81) RARBRARGRARACYP26A1MEN1
SCHEMBL846110 0.74 RARB (0.81) RARBRARGRARACYP26A1MEN1
SCHEMBL9446600 0.74 RARA (0.78) RARBRARGRARACYP26A1MEN1
SCHEMBL8317306 0.73 RARB (0.68) RARBRARGRARACYP26A1MEN1
SCHEMBL9125988 0.73 RARB (0.64) RARBRARGRARACYP26A1MEN1

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
WO-1993006086-A1 RETINOIDS AND THEIR USE IN TREATING SKIN DISEASES AND LEUKEMIA PFIZER INC. (US) 1993-04-01 WO disclosed