SCHEMBL7724028

SCHEMBL7724028

CCc1cc(F)c(C)c2cc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)oc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARA P10276 17/20 0.41
RARB P10826 16/20 0.41
RARG P13631 16/20 0.41
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL7727128 0.88 RARA (0.50) RARARARBRARG
SCHEMBL7730357 0.86 RARA (0.39) RARARARBRARGRXRARXRB
SCHEMBL7625794 0.84 RARA (0.43) RARARARBRARGRXRARXRB
SCHEMBL6049832 0.84 RARA (0.51) RARARARBRARG
SCHEMBL7720426 0.83 RARA (0.38) RARARARBRARGRXRARXRB
SCHEMBL7617714 0.82 RARA (0.53) RARARARBRARG
SCHEMBL7730174 0.82 RARA (0.43) RARARARBRARG
SCHEMBL7618694 0.82 RARA (0.49) RARARARBRARGKDM4E
SCHEMBL7730548 0.82 RARA (0.39) RARARARBRARGRXRARXRB
SCHEMBL7619612 0.81 RARA (0.40) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6358995-B1 AGONIST FOR RETINOIC ACID RECEPTORS; CAN BE SUBSTITUTED FOR RETINOIC ACID AS PREVENTIVE AND THERAPEUTIC DRUGS FOR VARIOUS DISEASES OR CANCERS, SUCH AS ACUTE PROMYELOCYTIC LEUKEMIA. EISAI CO., LTD. (JP) 2002-03-19 US disclosed
US-6258811-B1 ADMINISTERING RETINOIC ACID RECEPTOR AGONIST EISAI CO., LTD. (JP) 2001-07-10 US disclosed
US-6110959-A A RETINOIC ACID RECEPTOR AGONIST EISAI CO., LTD. (JP) 2000-08-29 US disclosed
EP-0930075-A1 METHODS FOR PREVENTING, INHIBITING OR TREATING GRAFT REJECTION REACTIONS IN GRAFT-VERSUS-HOST DISEASE (GVHD) AND ORGAN TRANSPLANTATION Eisai Co., Ltd. (JP) 1999-07-21 EP disclosed
EP-0889032-A1 FUSED-RING CARBOXYLIC ACID DERIVATIVES Eisai Co., Ltd. (JP) 1999-01-07 EP disclosed