SCHEMBL7675768

SCHEMBL7675768

C/C(=C\C(=O)O)c1ccc2c(c1)CCCN2C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
RARA P10276 2/20 0.38
RARB P10826 2/20 0.38
RARG P13631 2/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
MCL1 Q07820 2/20 0.37
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37

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
SCHEMBL7675774 1.00 HDAC1 (0.44) HDAC1HDAC6SMN1; SMN2TP53ALDH1A1
SCHEMBL7675776 1.00 HDAC1 (0.44) HDAC1HDAC6SMN1; SMN2TP53ALDH1A1
SCHEMBL7675684 0.90 RARA (0.38) HDAC1HDAC6SMN1; SMN2TP53ALDH1A1
SCHEMBL7675685 0.90 RARA (0.38) HDAC1HDAC6SMN1; SMN2TP53ALDH1A1
SCHEMBL7675680 0.90 RARA (0.38) HDAC1HDAC6SMN1; SMN2TP53ALDH1A1
SCHEMBL7664417 0.87 RXRA (0.48) HDAC1HDAC6ALDH1A1RARARARB
SCHEMBL7664422 0.87 RXRA (0.48) HDAC1HDAC6ALDH1A1RARARARB
SCHEMBL7665335 0.86 HDAC1 (0.41) HDAC1HDAC6SMN1; SMN2TP53ALDH1A1
SCHEMBL7665328 0.86 HDAC1 (0.41) HDAC1HDAC6SMN1; SMN2TP53ALDH1A1
SCHEMBL20173810 0.85 ALDH1A1 (0.51) HDAC1HDAC6SMN1; SMN2TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8208559-A None JP disclosed
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
JP-H08208559-A MONO OR POLYENECARBOXILIC ACID DERIVATIVE EISAI CO LTD 1996-08-13 JP disclosed