SCHEMBL28168331

SCHEMBL28168331

COc1ccc2c(Cl)c(OC)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.52
CYP11B2 P19099 2/20 0.52
CYP19A1 P11511 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CYP1A2 P05177 3/20 0.48
CYP2A6 P11509 1/20 0.48
RAD52 P43351 1/20 0.48
SLC2A1 P11166 1/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44

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
SCHEMBL29137562 0.87 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1CA12CA1
SCHEMBL5980580 0.86 CYP11B1 (0.62) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL27627375 0.82 NCEH1 (0.49) CYP1A2SLC2A1TUBB4ATUBBTUBA3C
SCHEMBL806512 0.81 CYP19A1 (0.52) CYP11B1CYP11B2CYP19A1CYP1A2CYP2A6
SCHEMBL11075536 0.80 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1CYP3A4SLC6A2
SCHEMBL4696866 0.80 ESR1 (0.53) CYP11B1CYP11B2CYP1A2CYP2A6TUBB4A
SCHEMBL13781592 0.80 NCEH1 (0.60) CYP11B1CYP11B2CYP19A1ALDH1A1MEN1
SCHEMBL3823769 0.80 ALDH1A1 (0.52) CYP11B1CYP11B2CYP1A2CYP2A6RAD52
SCHEMBL27902298 0.80 CYP2A6 (0.65) CA12CA1CA2CA7CA9
SCHEMBL30503987 0.79 CA12 (0.52) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116360211-A Chemically amplified positive photosensitive resin composition, protective film, and element having protective film 奇美实业股份有限公司 2023-06-30 CN disclosed
CN-107108774-A Ultra-violet solidified fluid composition, the uv-curing type ink jet ink using it, ultraviolet hardening wet type electrophotographic liquid developer, ultraviolet hardening electrostatic inkjet ink and image forming method 佳能株式会社 2017-08-29 CN disclosed