SCHEMBL10409337

SCHEMBL10409337

CC1(C)CC(C)(C)c2cc(OC(=O)c3ccccc3C(=O)O)ccc2S1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.47
RARB P10826 2/20 0.47
RARG P13631 2/20 0.47
HSPA9 P38646 1/20 0.38
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
ESR1 P03372 1/20 0.36
KDM4E B2RXH2 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 1/20 0.35
CDC25B P30305 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
FSHR P23945 1/20 0.35
USP2 O75604 1/20 0.34

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
SCHEMBL10409237 0.88 TSHR (0.46) RARARARBRARGHSPA9KMT2A
SCHEMBL10410310 0.83 RARA (0.48) RARARARBRARGHSPA9RXRA
SCHEMBL9186843 0.81 RARA (0.47) RARARARBRARGRXRARXRB
SCHEMBL9254042 0.81 RXRA (0.55) RARARARBRARGRXRARXRB
SCHEMBL9188815 0.80 RARA (0.50) RARARARBRARGHSPA9KMT2A
SCHEMBL9184440 0.79 RARB (0.54) RARARARBRARGRXRARXRB
SCHEMBL9186655 0.77 RARA (0.50) RARARARBRARGRXRARXRB
SCHEMBL9843408 0.76 KDM4E (0.45) RARARARBRARGRXRARXRB
SCHEMBL10409282 0.76 RARA (0.54) RARARARBRARGKMT2AMEN1
SCHEMBL9187034 0.76 RXRA (0.46) RARARARBRARGRXRARXRB

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
US-4895868-A PSORIASIS, SKIN DISORDERS, ANTIARTHRITIC, WOUND HEALING, EYE DRYNESS ALLERGAN, INC. (US) 1990-01-23 US disclosed