SCHEMBL8947341

SCHEMBL8947341

CC(C)(C)c1cc(-c2nnnn2CC(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS1 P23219 7/20 0.38
PTGS2 P35354 4/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TYR P14679 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLRA3 O75311 1/20 0.37
GLRB P48167 1/20 0.37

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
SCHEMBL8947282 0.86 PTGS1 (0.46) ALDH1A1HPGDCA2CA1CYP1A2
SCHEMBL8947174 0.86 ALDH1A1 (0.50) ALDH1A1HPGDCYP1A2PTGS1PTGS2
SCHEMBL8947259 0.80 ALDH1A1 (0.61) ALDH1A1HPGDCYP1A2LMNAPOLB
SCHEMBL8947265 0.78 ALDH1A1 (0.68) ALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL8947331 0.76 ALDH1A1 (0.84) ALDH1A1HPGDLMNAPOLB
SCHEMBL8947163 0.74 TRPV1 (0.39) ALDH1A1HPGDCYP1A2PTGS1PTGS2
SCHEMBL8947281 0.74 ALDH1A1 (0.75) ALDH1A1HPGDPOLB
SCHEMBL5966727 0.74 ALDH1A1 (0.75) ALDH1A1HPGDPTGS2POLB
SCHEMBL8947275 0.73 ALDH1A1 (0.61) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL8947333 0.73 ALDH1A1 (0.65) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35281-E ANTIDIABETIC AGENTS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
EP-0388967-B1 Aldose reductase inhibitor WAKAMOTO PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5055481-A Alleviate diabetic complications WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0388967-A1 Aldose reductase inhibitor Wakamoto Pharmaceutical Co., Ltd. (JP) 1990-09-26 EP disclosed