SCHEMBL6676865

SCHEMBL6676865

C=CCOc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)Br

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
RXRA P19793 12/20 0.33
PPARG P37231 11/20 0.33
RARG P13631 4/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RARA P10276 3/20 0.31
RARB P10826 3/20 0.31
RXRB P28702 3/20 0.31
RXRG P48443 3/20 0.31
HSD17B10 Q99714 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL6675529 0.87 CYP2D6 (0.40) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL6678701 0.86 GAA (0.36) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL5086413 0.86 LMNA (0.40) MEN1KMT2AHTTRXRAPPARG
SCHEMBL6676270 0.84 CA1 (0.42) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL26361504 0.84 MEN1 (0.37) MEN1KMT2AHTTRXRAPPARG
SCHEMBL30402175 0.81 CA1 (0.39) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL31232261 0.80 RXRA (0.33) RXRAPPARGRARGRARARARB
SCHEMBL9255038 0.80 CYP2D6 (0.43) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL6672811 0.79 ALDH1A1 (0.35) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL5090636 0.78 RXRA (0.31) RXRAPPARGRARGHSD17B10

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
EP-0963990-B1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
US-6197990-B1 REACTING CYCLOPENTADIENE AND METAL HYDRIDE IN PRESENCE OF AMINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-06 US disclosed
EP-0963990-A1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-15 EP disclosed