SCHEMBL8997645

SCHEMBL8997645

COc1ccc(CCc2ccc(C(=O)O)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.64
RARB P10826 6/20 0.64
RARG P13631 6/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
NR1I2 O75469 1/20 0.64
LMNA P02545 1/20 0.64
PGR P06401 1/20 0.64
HSPD1 P10809 1/20 0.64
GOT1 P17174 1/20 0.64
GLRA1 P23415 1/20 0.64
BLM P54132 1/20 0.64
HSPE1 P61604 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
S1PR1 P21453 1/20 0.53
IKBKB O14920 3/20 0.48
HDAC11 Q96DB2 2/20 0.47
HDAC2 Q92769 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6570369 0.86 S1PR1 (0.71) RARARARBRARGMEN1KMT2A
SCHEMBL565789 0.86 RARA (0.77) RARARARBRARGMEN1KMT2A
SCHEMBL1082340 0.86 RARA (0.77) RARARARBRARGMEN1KMT2A
SCHEMBL8424465 0.85 RARA (0.59) RARARARBRARGMEN1KMT2A
SCHEMBL8428693 0.85 RARA (0.59) RARARARBRARGMEN1KMT2A
Hydrochloric Acid SCHEMBL9124255 0.85 RARA (0.76) RARARARBRARGMEN1KMT2A
SCHEMBL8428663 0.85 RARA (0.58) RARARARBRARGMEN1KMT2A
SCHEMBL8872840 0.84 RARA (0.62) RARARARBRARGMEN1KMT2A
SCHEMBL8426342 0.84 RARA (0.60) RARARARBRARGMEN1KMT2A
SCHEMBL27706727 0.84 RARB (0.74) RARARARBRARGMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8092136-A None JP disclosed
JP-H0892136-A NEW ADAMANTYL-SUBSTITUTED ACETYLENE COMPOUND HAVING TWO AROMATIC RINGS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THE COMPOUND, AND USES OF THE COMPOSITIONS CIRD GALDERMA 1996-04-09 JP disclosed