SCHEMBL21670546

SCHEMBL21670546

CCOc1ccccc1-c1cc(-c2ccc(Nc3ccc(C)cc3)cc2)cc(-c2ccccc2OCC)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.55
ENPP1 P22413 1/20 0.55
AGPAT2 O15120 3/20 0.47
GRM5 P41594 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
PTPRC P08575 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
DHFR P00374 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
PDE10A Q9Y233 1/20 0.41
SYK P43405 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ADORA2A P29274 1/20 0.39

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
SCHEMBL21670536 0.92 AGPAT2 (0.48) ENPP3ENPP1AGPAT2MEN1KMT2A
SCHEMBL30525972 0.92 AGPAT2 (0.48) ENPP3ENPP1AGPAT2MEN1KMT2A
SCHEMBL30526033 0.89 ENPP3 (0.47) ENPP3ENPP1AGPAT2GRM5MEN1
SCHEMBL21670514 0.89 ENPP3 (0.47) ENPP3ENPP1AGPAT2GRM5MEN1
SCHEMBL21670516 0.88 ENPP3 (0.46) ENPP3ENPP1AGPAT2MEN1KMT2A
SCHEMBL30525991 0.88 ENPP3 (0.46) ENPP3ENPP1AGPAT2MEN1KMT2A
SCHEMBL29048620 0.88 ENPP3 (0.50) ENPP3ENPP1AGPAT2GRM5PTPRC
SCHEMBL30525963 0.87 ENPP1 (0.41) ENPP3ENPP1AGPAT2MEN1KMT2A
SCHEMBL21670583 0.87 ENPP1 (0.41) ENPP3ENPP1AGPAT2MEN1KMT2A
SCHEMBL21670585 0.86 ENPP1 (0.56) ENPP3ENPP1GRM5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3608386-B1 REVERSIBLY THERMOCHROMIC COMPOSITION, AND REVERSIBLY THERMOCHROMIC MICROCAPSULE PIGMENT HAVING SAME ENCLOSED THEREIN PILOT INK CO LTD (JP) 2025-02-19 EP disclosed
CN-110446770-B Reversible thermochromic composition and reversible thermochromic microcapsule pigment containing the same 百乐墨水株式会社 2023-08-08 CN disclosed
US-11060018-B2 Reversibly thermochromic composition and reversibly thermochromic microcapsule pigment encapsulating the same THE PILOT INK CO., LTD. (JP) 2021-07-13 US disclosed
US-20200048542-A1 REVERSIBLY THERMOCHROMIC COMPOSITION AND REVERSIBLY THERMOCHROMIC MICROCAPSULE PIGMENT ENCAPSULATING THE SAME THE PILOT INK CO., LTD. (JP) 2020-02-13 US disclosed
EP-3608386-A1 REVERSIBLY THERMOCHROMIC COMPOSITION, AND REVERSIBLY THERMOCHROMIC MICROCAPSULE PIGMENT HAVING SAME ENCLOSED THEREIN The Pilot Ink Co., Ltd (JP) 2020-02-12 EP disclosed