SCHEMBL9304461

SCHEMBL9304461

Cc1c(C)c(C)c2oc(SC(CC(=O)O)C(=O)O)nc2c1C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9306929 0.72 SHMT2 (0.33) POLBALDH1A1KDM4EAPOBEC3GTDP1
SCHEMBL10891396 0.72 PRKCZ (0.40) POLBALDH1A1KDM4EAPOBEC3GTDP1
SCHEMBL9307203 0.70 ALDH1A1 (0.49) POLBALDH1A1KDM4EAPOBEC3GTDP1
SCHEMBL9305788 0.70 HSD17B10 (0.39) POLBALDH1A1KDM4EAPOBEC3GTDP1
SCHEMBL8973084 0.69 SOAT1 (0.37)
SCHEMBL10893575 0.69 ELANE (0.40) POLBALDH1A1KDM4EAPOBEC3GTDP1
SCHEMBL10892684 0.69 ELANE (0.40) POLBALDH1A1KDM4EAPOBEC3GTDP1
SCHEMBL9304109 0.69 RAB9A (0.34) POLBALDH1A1KDM4EAPOBEC3GTDP1
SCHEMBL8972664 0.69 SMN1; SMN2 (0.47) POLBALDH1A1KDM4ETDP1LMNA
SCHEMBL9307170 0.69 ELANE (0.39) POLBALDH1A1KDM4EAPOBEC3GTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed