SCHEMBL629577

SCHEMBL629577

CC(=O)C1C=Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
BRD4 O60885 1/20 0.36
CCL2 P13500 1/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
HTR2A P28223 1/20 0.35
HTR6 P50406 1/20 0.35
MAPT P10636 5/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 4/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
CYP2D6 P10635 1/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 4/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 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
SCHEMBL30666690 1.00 POLB (0.36) POLBBRD4CCL2MEN1KMT2A
SCHEMBL25218430 0.85 HTR2A (0.39) POLBBRD4CCL2MEN1KMT2A
SCHEMBL31068436 0.83 HTR6 (0.41) POLBBRD4CCL2MEN1KMT2A
SCHEMBL9056492 0.83 HTR2A (0.38) POLBBRD4CCL2MEN1KMT2A
SCHEMBL9309445 0.83 HTR2A (0.38) POLBBRD4CCL2MEN1KMT2A
SCHEMBL3609519 0.82 HTR2A (0.36) POLBBRD4CCL2MEN1KMT2A
SCHEMBL31147849 0.82 HTR6 (0.40) POLBBRD4CCL2MEN1KMT2A
SCHEMBL63928 0.82 EDNRA (0.39) BRD4CCL2MEN1KMT2AHTR2A
SCHEMBL29401941 0.82 EDNRA (0.39) BRD4CCL2MEN1KMT2AHTR2A
SCHEMBL8890229 0.81 POLB (0.34) POLBMAPTALDH1A1MAP4K4ABL1

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-4175195-A REACTING A (HETERO-)AROMATIC KETONE, AMMONIA, AND AN UNSATURATED KETONE OR ALDEHYDE DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1979-11-20 US claimed
EP-2419403-A1 VITAMIN D RECEPTOR AGONISTS AND USES THEREOF Vidasym, Llc (US) 2012-02-22 EP disclosed
EP-1155698-A1 ORGANOBORON COMPOUNDS EXHIBITING ANTICOCCIDIAL ACTIVITIES Nitto Kasei Co., Ltd. (JP) 2001-11-21 EP disclosed
US-4175195-A REACTING A (HETERO-)AROMATIC KETONE, AMMONIA, AND AN UNSATURATED KETONE OR ALDEHYDE DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1979-11-20 US disclosed
US-4171444-A REACTING A (HETERO-)AROMATIC KETONE, AMMONIA, AND AN ALIPHATIC ALDEHYDE, DEHYDRATING-DEHYDROGENATION CATALYSTS DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1979-10-16 US disclosed
US-4146631-A ANTIALLERGENS, RESPIRATORY DISORDERS MAY & BAKER LIMITED (GB) 1979-03-27 US disclosed