SCHEMBL7936769

SCHEMBL7936769

COc1ccc(-c2sc3cc(OC)ccc3c2Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
ALDH1A1 P00352 4/20 0.59
HSD17B10 Q99714 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
KMT2A Q03164 1/20 0.59
TUBB4A P04350 2/20 0.57
TUBB P07437 2/20 0.57
TUBA3C P0DPH7 2/20 0.57
TUBA1B P68363 2/20 0.57
TUBA4A P68366 2/20 0.57
TUBB4B P68371 2/20 0.57
TUBB3 Q13509 2/20 0.57
TUBB2A Q13885 2/20 0.57
TUBB8 Q3ZCM7 2/20 0.57
TUBA3E Q6PEY2 2/20 0.57
TUBA1A Q71U36 2/20 0.57
TUBA1C Q9BQE3 2/20 0.57
TUBB6 Q9BUF5 2/20 0.57

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
SCHEMBL7936791 0.91 PRNP (0.55) MAPTALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL7945788 0.88 ESR1 (0.53) MAPTALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL7106224 0.86 MAPT (0.55) MAPTALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL7103621 0.84 MAPT (0.51) MAPTALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL8643567 0.82 TUBB4A (0.58) MAPTALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL7936838 0.81 TUBB4A (0.57) MAPTALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL7944406 0.81 TUBB4A (0.57) MAPTALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL6832588 0.81 TUBB4A (0.57) MAPTALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL6812421 0.81 TUBB4A (0.57) MAPTALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL26625250 0.79 TUBB4A (0.49) MAPTALDH1A1HSD17B10CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258826-B1 HALOGEN SUBSTITUTED BENZOTHIOPHENE COMPOUNDS WITH CARRIERS ELI LILLY AND COMPANY 2001-07-10 US claimed
US-6087378-A THE ACTIVE BENZO(B)THIOPHENE COMPOUNDS FOR TREATING OSTEOPOROSIS AND CARDIOVASCULAR DISORDERS, ESPECIALLY HYPERLIPIDEMIA ELI LILLY AND COMPANY (US) 2000-07-11 US claimed
US-6258826-B1 HALOGEN SUBSTITUTED BENZOTHIOPHENE COMPOUNDS WITH CARRIERS ELI LILLY AND COMPANY 2001-07-10 US disclosed
US-6087378-A THE ACTIVE BENZO(B)THIOPHENE COMPOUNDS FOR TREATING OSTEOPOROSIS AND CARDIOVASCULAR DISORDERS, ESPECIALLY HYPERLIPIDEMIA ELI LILLY AND COMPANY (US) 2000-07-11 US disclosed
US-4588484-A Electrochemical reduction of 3-chlorobenzo[b]thiophenes ELI LILLY AND COMPANY (US) 1986-05-13 US disclosed