SCHEMBL7922032

SCHEMBL7922032

CCOCCCOc1ccc(OB(Oc2ccc(OCCCOCC)c(Cl)c2)Oc2ccc(OCCCOCC)c(Cl)c2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 3/20 0.47
ATM Q13315 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
GLA P06280 1/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
CSNK2A1 P68400 2/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7922096 0.93 L3MBTL1 (0.49) L3MBTL1MAPTRAB9AATMSMN1; SMN2
SCHEMBL7922037 0.89 L3MBTL1 (0.45) L3MBTL1MAPTRAB9AATMSMN1; SMN2
SCHEMBL7934182 0.84 MAPT (0.46) L3MBTL1MAPTRAB9AATMSMN1; SMN2
SCHEMBL7931127 0.82 L3MBTL1 (0.48) L3MBTL1MAPTRAB9AATMSMN1; SMN2
SCHEMBL6344107 0.81 L3MBTL1 (0.47) L3MBTL1MAPTRAB9AATMSMN1; SMN2
SCHEMBL7969081 0.78 NCF1 (0.40) L3MBTL1MAPTALDH1A1LMNAKMT2A
SCHEMBL6352411 0.77 ALDH1A1 (0.43) MAPTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL7922023 0.76 NCF1 (0.38) L3MBTL1MAPTSMN1; SMN2ALDH1A1TDP1
SCHEMBL7931735 0.76 L3MBTL1 (0.44) L3MBTL1MAPTRAB9AATMALDH1A1
SCHEMBL7922045 0.75 L3MBTL1 (0.40) L3MBTL1KMT2ATDP1CYP1A2CYP2C19

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-1140896-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 Takeda Chemical Industries, Ltd. (JP) 2001-10-10 EP disclosed
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
WO-2000037455-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-06-29 WO disclosed