SCHEMBL7971330

SCHEMBL7971330

COC(=O)C1=CC(=O)CCC1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
TSHR P16473 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CASP3 P42574 1/20 0.38
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
CFTR P13569 1/20 0.37
GOPC Q9HD26 1/20 0.37
RAB9A P51151 1/20 0.37
RIPK1 Q13546 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
SCHEMBL7969978 0.84 CTRB1 (0.46) CTRB1KMT2AMEN1DDB1CRBN
SCHEMBL7991029 0.84 CTRB1 (0.46) CTRB1KMT2AMEN1DDB1CRBN
SCHEMBL6844052 0.84 CTRB1 (0.46) CTRB1KMT2AMEN1DDB1CRBN
SCHEMBL8088303 0.80 GAA (0.53) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL3534373 0.74 DDB1 (0.47) CTRB1KMT2ATSHRDDB1CRBN
SCHEMBL6781853 0.73 MAPT (0.41) KMT2AMEN1TSHRDDB1CRBN
SCHEMBL6781847 0.73 MAPT (0.41) KMT2ATSHRLMNAALDH1A1SLC6A3
SCHEMBL6776703 0.73 MAPT (0.41) CTRB1KMT2ATSHRDDB1CRBN
SCHEMBL11548049 0.70 DDB1 (0.47) CTRB1KMT2ATSHRDDB1CRBN
SCHEMBL7501162 0.70 CYP19A1 (0.45) KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218406-B1 AS ANTITUMOR AND ANTILEUKEMIC AGENTS AVENTIS PHARMA S.A. (FR) 2001-04-17 US disclosed
US-6124465-A Farnesyl transferase inhibitors, their preparation, the pharmaceutical compositions which contain them and their use in the preparation of medicaments RHONE-POULENC S.A. (FR) 2000-09-26 US disclosed
US-6013662-A ANTITUMOR, ANTICARCINOGENIC AGENTS RHONE-POULENC RORER S.A. (FR) 2000-01-11 US disclosed