SCHEMBL20122014

SCHEMBL20122014

CC1CC2CC(C1)CC(C)(c1cc(-c3ccc(/C=C/C(=O)O)cc3)ccc1O)C2

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.72
HDAC11 Q96DB2 5/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
PTPN11 Q06124 8/20 0.55
NR0B2 Q15466 3/20 0.55
RARA P10276 1/20 0.45
RARG P13631 1/20 0.45
RXRA P19793 1/20 0.43
HDAC1 Q13547 1/20 0.42

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
SCHEMBL20122013 0.86 HDAC11 (0.61) RARBHDAC11HDAC2HDAC7HDAC8
SCHEMBL20122000 0.86 RARB (0.56) RARBHDAC11HDAC2HDAC7HDAC8
SCHEMBL20018663 0.85 PTPN11 (0.56) RARBHDAC11HDAC2HDAC7HDAC8
Adarotene SCHEMBL29449480 0.84 RARB (1.00) RARBHDAC11HDAC2HDAC7HDAC8
Adarotene SCHEMBL403528 0.84 RARB (1.00) RARBHDAC11HDAC2HDAC7HDAC8
Adarotene SCHEMBL403527 0.84 RARB (1.00) RARBHDAC11HDAC2HDAC7HDAC8
Adarotene SCHEMBL29462720 0.84 RARB (1.00) RARBHDAC11HDAC2HDAC7HDAC8
SCHEMBL8255190 0.79 RARB (0.57) RARBHDAC11HDAC2HDAC7HDAC8
SCHEMBL25870575 0.76 RARB (0.76) RARBHDAC11HDAC2HDAC7HDAC8
SCHEMBL20018671 0.76 HDAC11 (0.50) RARBHDAC11HDAC2HDAC7HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3763715-A1 HARRINGTONINES SALTS, IN PARTICULAR RETINOATES, THEIR PROCESS OF PREPARATION AND THEIR USES IN THE TREATMENT OF LEUKEMIAS, CANCERS, AUTOIMMUNE, SKIN, ALZHEIMER'S AND INFLAMMATORY BOWEL DISEASES AND VIRAL INFECTIONS, COMBINED WITH MYELOPOIESIS STIMULATING AGENTS Robin, Jean-Pierre (CH) 2021-01-13 EP disclosed
US-9963439-B2 Specific inhibitors of cytochrome P450 26 retinoic acid hydroxylase UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2018-05-08 US disclosed