SCHEMBL9502129

SCHEMBL9502129

CC(C)Oc1ccc(Oc2ccc(CCl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
ACACB O00763 2/20 0.47
ACACA Q13085 2/20 0.47
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
P2RX3 P56373 1/20 0.43
LMNA P02545 4/20 0.42
ALDH1A1 P00352 2/20 0.42
ALDH1A3 P47895 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP14 P50281 1/20 0.42
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1390783 0.94 POLB (0.55) POLBCYP1A2GAACYP2D6CYP2C19
SCHEMBL9501777 0.86 HTR1D (0.43) POLBACACBACACAGAAP2RX3
SCHEMBL9503501 0.83 ACACB (0.42) POLBACACBACACAP2RX3ALDH1A1
SCHEMBL8551187 0.82 ST14 (0.48) ALDH1A1KMT2AMEN1
SCHEMBL1338731 0.82 ST14 (0.48) ALDH1A1KMT2AMEN1
SCHEMBL6282894 0.82 ALDH1A3 (0.56) POLBACACBACACACYP1A2GAA
SCHEMBL9503463 0.80 PPARG (0.40) POLBACACBLMNAALDH1A1KMT2A
SCHEMBL9502730 0.80 IDO1 (0.47) POLBACACBACACAALDH1A1L3MBTL1
SCHEMBL10736121 0.79 POLB (0.40) POLBCYP1A2GAACYP2D6CYP2C19
SCHEMBL2982874 0.78 POLB (0.39) POLBCYP1A2GAACYP2D6CYP2C19

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
EP-0186190-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-26 EP disclosed
EP-0132606-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-07 EP disclosed
US-4663339-A Acaricidal and insecticidal substituted 1-phenylalkylbenzimidazoles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-05-05 US disclosed
US-4612323-A Insecticidal and acaricidal derivatives of 1-benzylbenzimidazole SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-09-16 US disclosed
EP-0186190-A2 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-07-02 EP disclosed
EP-0132606-A1 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-02-13 EP disclosed