SCHEMBL29637136

SCHEMBL29637136

c1ccc2c(c1)cc(-c1cc3ccccc3c3ccccc13)c1ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
HSD17B10 Q99714 4/20 0.60
HIF1A Q16665 2/20 0.60
CYP1B1 Q16678 1/20 0.60
TRPM4 Q8TD43 1/20 0.59
TSHR P16473 2/20 0.58
HPGD P15428 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MAPK1 P28482 1/20 0.58
CASP1 P29466 1/20 0.58
HPRT1 P00492 3/20 0.58
CYP2A6 P11509 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP11B1 P15538 1/20 0.54
NISCH Q9Y2I1 1/20 0.50
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
RAD52 P43351 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46

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
SCHEMBL7905250 1.00 ALDH1A1 (0.60) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL4442152 0.94 ALDH1A1 (0.55) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL5821497 0.87 ALDH1A1 (0.54) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL28067095 0.87 ALDH1A1 (0.59) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL30915551 0.87 HPRT1 (0.67) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL2966644 0.86 ALDH1A1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL12520821 0.86 CYP11B1 (0.59) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL28968712 0.85 HPRT1 (0.64) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL13314087 0.84 CYP11B1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL5851578 0.84 ALDH1A1 (0.63) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118974139-A Thermoplastic resin and optical lens comprising the same 三菱瓦斯化学株式会社 2024-11-15 CN disclosed
CN-117776830-A Full deuteration preparation method of polycyclic aromatic hydrocarbon 宁波萃英化学技术有限公司 2024-03-29 CN disclosed
CN-115724867-A Heterocyclic compound, organic light-emitting device including heterocyclic compound, and electronic apparatus 三星电子株式会社 2023-03-03 CN disclosed
CN-115611949-A Organometallic compound, organic light-emitting device including the organometallic compound, and electronic apparatus including the organic light-emitting device 三星电子株式会社 2023-01-17 CN disclosed
CN-115466291-A Composition, layer including the composition, light emitting device including the composition, and electronic device including the light emitting device 三星电子株式会社 2022-12-13 CN disclosed
CN-115458700-A Light emitting device and electronic apparatus including the same 三星电子株式会社 2022-12-09 CN disclosed
CN-115440908-A Composition, layer including the composition, light emitting device including the composition, and electronic device including the light emitting device 三星电子株式会社 2022-12-06 CN disclosed
CN-113013341-B Organic electroluminescent device, method of manufacturing the same, and display apparatus including the same 江苏三月科技股份有限公司 2022-08-02 CN disclosed
CN-114744133-A Organic light emitting device 三星显示有限公司 2022-07-12 CN disclosed
CN-107459516-B Compound, and photoelectric device, image sensor and electronic device including the same 三星电子株式会社 2022-05-24 CN disclosed