SCHEMBL9635530

SCHEMBL9635530

Cn1ccc(C(=O)O)c1C(=O)c1ccccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
AKR1C3 P42330 3/20 0.50
ALOX15 P16050 1/20 0.50
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CDC25B P30305 3/20 0.44
CDC25A P30304 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.44
NR4A1 P22736 2/20 0.43
MYC P01106 2/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL9723823 0.87 NOTUM (0.40) ALDH1A1AKR1C3ALOX15KMT2ACYP2C9
SCHEMBL31342301 0.86 AKR1C3 (0.50) ALDH1A1AKR1C3ALOX15CDC25BATM
SCHEMBL11245998 0.75 SMN1; SMN2 (0.54) ALDH1A1AKR1C3ALOX15KMT2ACYP3A4
SCHEMBL11402284 0.73 ALDH1A1 (0.82) ALDH1A1AKR1C3ALOX15KMT2ACYP3A4
SCHEMBL809436 0.73 ALDH1A1 (0.82) ALDH1A1AKR1C3ALOX15KMT2ACYP3A4
SCHEMBL29977835 0.73 ALDH1A1 (0.82) ALDH1A1AKR1C3ALOX15KMT2ACYP3A4
SCHEMBL28554392 0.73 KDM4E (0.44) ALDH1A1ALOX15KMT2AHSD17B10
Phthalic Acid SCHEMBL30575217 0.71 ALDH1A1 (0.88) ALDH1A1AKR1C3ALOX15KMT2ACYP3A4
Phthalic Acid SCHEMBL4396104 0.71 ALDH1A1 (0.88) ALDH1A1AKR1C3ALOX15KMT2ACYP3A4
Phthalic Acid SCHEMBL4797005 0.71 ALDH1A1 (0.88) ALDH1A1AKR1C3ALOX15KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5149823-A Sulfonamide substituted spirodilactams SHELL OIL COMPANY (US) 1992-09-22 US disclosed
US-5145910-A Ketocarboxylated polymers SHELL OIL COMPANY (US) 1992-09-08 US disclosed
US-5112938-A CYANO- AND CARBOXY-SUBSTITUTED SPIRODILACTAMS SHELL OIL COMPANY (US) 1992-05-12 US disclosed
US-5103001-A SPIRODILACTAMS SHELL OIL COMPANY (US) 1992-04-07 US disclosed
US-5093465-A Polyamide containing spirodilactam moieties SHELL OIL COMPANY (US) 1992-03-03 US disclosed
US-5093499-A Spirodilactam derivatives SHELL OIL COMPANY (US) 1992-03-03 US disclosed
US-5061780-A Poly(ether-bis-imide-spiro dilactam) polymer SHELL OIL COMPANY (US) 1991-10-29 US disclosed
US-5037948-A Cyano- and carboxy-substituted spirodilactams SHELL OIL COMPANY (US) 1991-08-06 US disclosed
US-5034504-A Spirodilactam polyamide polymer SHELL OIL COMPANY (US) 1991-07-23 US disclosed
US-5028688-A Polyamideimide polymers SHELL OIL COMPANY (US) 1991-07-02 US disclosed
US-4978736-A Polyamideimide polymers SHELL OIL COMPANY (US) 1990-12-18 US disclosed
US-4968812-A Spirolactonelactams SHELL OIL COMPANY (US) 1990-11-06 US disclosed
US-4968770-A Polyamide from spirodilactam precursor and primary diamine SHELL OIL COMPANY (US) 1990-11-06 US disclosed
US-4939251-A Novel spirolactones SHELL OIL COMPANY (US) 1990-07-03 US disclosed
US-4927906-A Novel polyamideimide polymers SHELL OIL COMPANY (US) 1990-05-22 US disclosed
US-4914176-A Poly(heterocyclic) polymers SHELL OIL COMPANY (US) 1990-04-03 US disclosed
US-4908458-A 1,5-Di(benzoheterocyclic)-3-oxopentane derivatives SHELL OIL COMPANY (US) 1990-03-13 US disclosed