SCHEMBL7665263

SCHEMBL7665263

CC(=C(F)C(=O)O)c1ccc2c(c1)CCCN2C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
RARA P10276 2/20 0.38
RARB P10826 2/20 0.38
RARG P13631 2/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
MCL1 Q07820 2/20 0.37
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36

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
SCHEMBL7665255 1.00 HDAC1 (0.43) HDAC1HDAC6TP53SMN1; SMN2ALDH1A1
SCHEMBL7669401 1.00 HDAC1 (0.43) HDAC1HDAC6TP53SMN1; SMN2ALDH1A1
SCHEMBL7662581 0.96 HDAC1 (0.40) HDAC1HDAC6TP53SMN1; SMN2ALDH1A1
SCHEMBL7662574 0.96 HDAC1 (0.40) HDAC1HDAC6TP53SMN1; SMN2ALDH1A1
SCHEMBL7669871 0.96 HDAC1 (0.40) HDAC1HDAC6TP53SMN1; SMN2ALDH1A1
SCHEMBL7670961 0.95 HPGD (0.41) HDAC1HDAC6TP53SMN1; SMN2ALDH1A1
SCHEMBL7670957 0.95 HPGD (0.41) HDAC1HDAC6TP53SMN1; SMN2ALDH1A1
SCHEMBL7673001 0.90 RARA (0.38) HDAC1HDAC6TP53ALDH1A1HPGD
SCHEMBL7673007 0.90 RARA (0.38) HDAC1HDAC6TP53ALDH1A1HPGD
SCHEMBL20173810 0.84 ALDH1A1 (0.51) HDAC1HDAC6TP53SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420363-B1 Mono- or polyenic carboxylic acid derivatives EISAI CO., LTD. (JP) 2002-07-16 US disclosed
US-6291508-B1 POTENT ABILITY TO BIND TO RETINOIC ACID RECEPTORS THUS USEFUL IN TREATING PSORIASIS AND RHEUMATOID ARTHRITIS. EISAI CO., LTD. (JP) 2001-09-18 US disclosed
US-6133283-A Mono- or polyenic carboxylic acid derivatives EISAI CO., LTD. (JP) 2000-10-17 US disclosed
US-6030964-A BINDS TO RETINOIC ACID RECEPTORS AND USEFUL FOR TREATING PSORIASIS, AUTOIMMUNE DISEASES, TUMORS, RHEUMATOID ARTHRITIS AND FOR INDUCING IMMUNOSUPPRESSION IN ORGAN TRANSPLANTATION EISAI CO., LTD. (JP) 2000-02-29 US disclosed
US-5977125-A Mono-or polyenic carboxylic acid derivatives EISAI CO., LTD. (JP) 1999-11-02 US disclosed
EP-0790228-A1 MONO- OR POLYENIC CARBOXYLIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1997-08-20 EP disclosed