SCHEMBL9305789

SCHEMBL9305789

CC(C)(C)CC(C)(C)c1ccc2nc(C(CC(=O)S)C(=O)O)oc2c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HDAC4 P56524 1/20 0.34
TP53 P04637 4/20 0.34
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
SHBG P04278 1/20 0.32

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
SCHEMBL9305802 0.83 HDAC4 (0.36) MAPTLMNAPOLBHDAC4TP53
SCHEMBL9305794 0.81 HDAC4 (0.33) MAPTLMNAPOLBHDAC4TP53
SCHEMBL9304708 0.78 ALDH1A1 (0.38) MAPTLMNAPOLBHDAC4TP53
SCHEMBL9305082 0.78 MAPT (0.50) MAPTLMNAPOLBHDAC4TP53
SCHEMBL9306799 0.77 PIK3CG (0.43) MAPTLMNAPOLB
SCHEMBL8972441 0.77 MAPT (0.41) MAPTLMNAPOLBHDAC4TP53
SCHEMBL9305511 0.77 NPC1 (0.44) MAPTHDAC4TP53PTPN1HDAC6
SCHEMBL10888960 0.77 MAPT (0.44) MAPTLMNAPOLBHDAC4TP53
SCHEMBL9306454 0.76 CSNK1D (0.39)
SCHEMBL8972322 0.75 RAB9A (0.43) MAPTHDAC4PTPN2PTPN1HDAC6

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