SCHEMBL7453103

SCHEMBL7453103

CC(C)(C)C(CC(=O)O)c1ccc(CCNC(=O)c2cccc(NC(=N)N)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
ESRRG P62508 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
KMT2A Q03164 3/20 0.41
KDM1A O60341 2/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
PAX8 Q06710 1/20 0.40

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
SCHEMBL7379804 0.82 ITGB3 (0.55) LMNANPC1RAB9AHDAC3HDAC4
SCHEMBL7380111 0.78 LMNA (0.52) LMNAESRRGNPC1RAB9AHDAC3
SCHEMBL7453096 0.78 LMNA (0.48) LMNAESRRGNPC1RAB9AHDAC3
SCHEMBL7380108 0.77 LMNA (0.46) LMNAESRRGNPC1RAB9AKMT2A
SCHEMBL7856536 0.77 LMNA (0.54) LMNANPC1RAB9AHDAC3HDAC4
SCHEMBL8500653 0.77 ITGB3 (0.60) LMNANPC1RAB9AHDAC3HDAC4
SCHEMBL8501270 0.76 LMNA (0.46) LMNANPC1RAB9AKMT2AKDM1A
SCHEMBL7450519 0.73 PPARG (0.65) LMNANPC1RAB9AHDAC2HDAC8
SCHEMBL7864172 0.73 TP53 (0.46) LMNAITGB3ITGA2BPARP1PARP10
SCHEMBL7856464 0.73 TP53 (0.49) LMNAKMT2AITGB3ITGA2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891325-B1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-02-06 EP claimed
EP-1157985-A1 Para- substituted phenylene derivatives and their use as integrin antagonists G.D. SEARLE & CO. (US) 2001-11-28 EP claimed
US-6251944-B1 (VITRONECTIN RECEPTOR) INTEGRIN ANTAGONIST, USEFUL FOR TREATING ANGIOGENESIS, TUMOR GROWTH, TUMOR METASTASIS, OSTEOPOROSIS AND HUMORAL HYPERCALCEMIA OF MALIGNANCY G. D. SEARLE & COMPANY 2001-06-26 US claimed
EP-0891325-B1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-02-06 EP disclosed
EP-1157985-A1 Para- substituted phenylene derivatives and their use as integrin antagonists G.D. SEARLE & CO. (US) 2001-11-28 EP disclosed
US-6251944-B1 (VITRONECTIN RECEPTOR) INTEGRIN ANTAGONIST, USEFUL FOR TREATING ANGIOGENESIS, TUMOR GROWTH, TUMOR METASTASIS, OSTEOPOROSIS AND HUMORAL HYPERCALCEMIA OF MALIGNANCY G. D. SEARLE & COMPANY 2001-06-26 US disclosed