Sugi Predict

Sugi Predict / Compounds / Isophthalic Acid

Isophthalic Acid

Isophthalic Acid

SCHEMBL9870177

CC1(C)CC(C)(C)c2cc(S)ccc2O1.O=C(O)c1cccc(C(=O)O)c1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 5/20 0.43
▸ SSTR5 P35346 1/20 0.43
▸ RARA P10276 6/20 0.39
▸ RARB P10826 6/20 0.39
▸ RARG P13631 6/20 0.39
▸ RXRA P19793 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ CYP26A1 O43174 1/20 0.35
▸ CYP26B1 Q9NR63 1/20 0.35

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
Terephthalic Acid SCHEMBL9872879 0.91 SSTR5 (0.49) AKR1B1SSTR5RARARARBRARG
SCHEMBL5736575 0.85 SSTR5 (0.50) AKR1B1SSTR5RARARARBRARG
SCHEMBL27259756 0.85 AKR1B1 (0.43) AKR1B1SSTR5ALDH1A1CYP26A1CYP26B1
SCHEMBL8758787 0.79 RARB (0.46) AKR1B1SSTR5RARARARBRARG
SCHEMBL9180357 0.74 RARB (0.60) SSTR5RARARARBRARGCYP26A1
SCHEMBL13668353 0.74 RXRA (0.53) SSTR5RARARARBRARGRXRA
SCHEMBL4420510 0.74 AKR1B1 (0.43) AKR1B1SSTR5RARARARBRARG
SCHEMBL9850145 0.72 SSTR5 (0.46) SSTR5RARARARBRARGRXRA
SCHEMBL8158757 0.72 RARA (0.62) SSTR5RARARARBRARGALDH1A1
SCHEMBL9076000 0.72 RARB (0.71) RARARARBRARGRXRAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5015658-A Treatment of skin disorders such as psoriasis ALLERGAN, INC. (US) 1991-05-14 — — US disclosed