SCHEMBL3996987

SCHEMBL3996987

O=CC(=O)Cc1ccccc1O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.63
▸ TSHR P16473 3/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ HSPA5 P11021 1/20 0.48
▸ CA12 O43570 5/20 0.45
▸ CA2 P00918 5/20 0.45
▸ CA9 Q16790 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ MPO P05164 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ TRIM24 O15164 1/20 0.40
▸ TRIM33 Q9UPN9 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
SCHEMBL668441 0.82 AKR1B1 (0.61) AKR1B1TSHRCYP2D6HIF1AHSPA5
SCHEMBL1737314 0.78 AKR1B1 (0.74) AKR1B1TSHRCYP2D6HIF1AHSPA5
SCHEMBL30451705 0.78 AKR1B1 (0.74) AKR1B1TSHRCYP2D6HIF1AHSPA5
SCHEMBL30449014 0.78 AKR1B1 (1.00) AKR1B1TSHRCYP2D6HIF1AHSPA5
SCHEMBL72309 0.78 AKR1B1 (1.00) AKR1B1TSHRCYP2D6HIF1AHSPA5
SCHEMBL3629093 0.78 CTBP2 (0.51) TAAR1
SCHEMBL2240152 0.76 AKR1B1 (0.59) AKR1B1TSHRCYP2D6HIF1AHSPA5
Ammonia Solution, Strong SCHEMBL10886656 0.76 AKR1B1 (0.95) AKR1B1TSHRCYP2D6HIF1AHSPA5
Hydrochloric Acid SCHEMBL8622012 0.76 AKR1B1 (0.95) AKR1B1TSHRCYP2D6HIF1AHSPA5
SCHEMBL4284420 0.76 AKR1B1 (0.95) AKR1B1TSHRCYP2D6HIF1AHSPA5

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
CN-114015342-A Antistatic scratch-resistant automobile paint and preparation method thereof 黄超财 2022-02-08 — — CN claimed
CN-114015342-A Antistatic scratch-resistant automobile paint and preparation method thereof 黄超财 2022-02-08 — — CN disclosed
US-20140272763-A1 SHADE GUIDE KIT FOR MATCHING DENTAL COMPOSITES TO A PERSON'S TEETH UItradent Products, Inc. (US) 2014-09-18 — — US disclosed
EP-2066257-A2 PRELAYERED DENTAL APPLIANCES, KITS, AND METHODS FOR PROVIDING CONSISTENT SHADE MATCHING ULTRADENT PRODUCTS, INC. (US) 2009-06-10 — — EP disclosed
WO-2008042546-A2 PRELAYERED DENTAL APPLIANCES, KITS, AND METHODS FOR PROVIDING CONSISTENT SHADE MATCHING ULTRADENT PRODUCTS, INC. (US) 2008-04-10 — — WO disclosed
US-20080081318-A1 PRELAYERED DENTAL APPLIANCES, KITS, AND METHODS FOR PROVIDING CONSISTENT SHADE MATCHING ULTRADENT PRODUCTS, INC. (US) 2008-04-03 — — US disclosed
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